REMARK Name = BDB020442 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.826 -1.867 -0.966 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.698 -1.041 -0.936 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.223 0.281 -0.525 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.238 0.143 -0.786 0.00 0.00 -0.272 N ATOM 5 C LIG 1 -1.613 -1.087 -1.564 0.00 0.00 +0.129 C ATOM 6 C LIG 1 -2.070 1.079 -0.229 0.00 0.00 +0.304 C ATOM 7 N LIG 1 -3.398 0.777 -0.264 0.00 0.00 -0.291 N ATOM 8 H LIG 1 -3.625 -0.198 -0.160 0.00 0.00 +0.151 HD ATOM 9 O LIG 1 -1.641 2.113 0.281 0.00 0.00 -0.253 OA ATOM 10 C LIG 1 -0.310 -1.770 -1.489 0.00 0.00 +0.063 A ATOM 11 N LIG 1 0.198 -2.969 -1.826 0.00 0.00 -0.278 N ATOM 12 H LIG 1 -0.246 -3.774 -2.258 0.00 0.00 +0.189 HD ATOM 13 N LIG 1 1.512 -3.046 -1.524 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 4.174 -2.327 -0.446 0.00 0.00 +0.249 C ATOM 15 N LIG 1 3.071 -1.500 -0.499 0.00 0.00 -0.265 N ATOM 16 H LIG 1 3.137 -0.574 -0.109 0.00 0.00 +0.157 HD ATOM 17 O LIG 1 4.243 -3.518 -0.719 0.00 0.00 -0.270 OA BRANCH 14 21 ATOM 18 C LIG 1 7.760 -0.460 1.033 0.00 0.00 +0.034 A ATOM 19 C LIG 1 6.909 0.240 0.167 0.00 0.00 +0.024 A ATOM 20 C LIG 1 5.740 -0.352 -0.325 0.00 0.00 +0.015 A ATOM 21 C LIG 1 5.408 -1.658 0.053 0.00 0.00 +0.037 A ATOM 22 C LIG 1 6.264 -2.368 0.900 0.00 0.00 +0.015 A ATOM 23 C LIG 1 7.429 -1.768 1.393 0.00 0.00 +0.024 A BRANCH 18 25 ATOM 24 C LIG 1 9.902 -0.278 2.307 0.00 0.00 +0.241 C ATOM 25 N LIG 1 8.913 0.215 1.486 0.00 0.00 -0.282 N ATOM 26 H LIG 1 9.046 1.150 1.129 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 10.002 -1.410 2.763 0.00 0.00 -0.271 OA BRANCH 24 29 ATOM 28 C LIG 1 10.820 2.019 2.757 0.00 0.00 +0.013 C ATOM 29 C LIG 1 10.988 0.699 2.603 0.00 0.00 +0.060 C ENDBRANCH 24 29 ENDBRANCH 18 25 ENDBRANCH 14 21 ENDBRANCH 1 15 BRANCH 5 30 ATOM 30 C LIG 1 -2.047 -0.842 -3.033 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -1.151 0.139 -3.800 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -3.506 -0.396 -3.155 0.00 0.00 +0.009 C ENDBRANCH 5 30 BRANCH 7 33 ATOM 33 C LIG 1 -4.383 1.656 0.349 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 C LIG 1 -5.729 1.454 -0.336 0.00 0.00 -0.026 A ATOM 35 C LIG 1 -6.481 0.280 -0.177 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -7.702 0.117 -0.836 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.185 1.121 -1.671 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.446 2.287 -1.851 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.226 2.452 -1.192 0.00 0.00 +0.005 A ENDBRANCH 33 34 BRANCH 33 40 ATOM 40 C LIG 1 -4.437 1.526 1.907 0.00 0.00 +0.111 C BRANCH 40 41 ATOM 41 N LIG 1 -4.526 0.133 2.428 0.00 0.00 -0.306 NA ATOM 42 C LIG 1 -5.465 0.076 3.554 0.00 0.00 +0.104 C ATOM 43 C LIG 1 -3.216 -0.353 2.874 0.00 0.00 +0.104 C ENDBRANCH 40 41 ENDBRANCH 33 40 ENDBRANCH 7 33 TORSDOF 9